卡托普利
TL;DR: 卡托普利 (CAS 62571-86-2) is a chemical compound with molecular formula C9H15NO3S and molecular weight 217.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
卡托普利
1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid
Also Known As: captopril, Capoten, carbenicillin, Acepress, Alopresin
| Molecular Formula | C9H15NO3S |
|---|---|
| Molecular Weight | 217.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.07727 |
| Heavy Atoms | 14 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 62571-86-2 |
|---|---|
| SMILES | CC(CS)C(=O)N1CCCC1C(=O)O |
| InChIKey | FAKRSMQSSFJEIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
卡托普利 (CAS 62571-86-2), with molecular formula C9H15NO3S and molecular weight 217.08 g/mol. IUPAC: 1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid.
Chemical Property Profile of 卡托普利
Property Insights of 卡托普利
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 卡托普利. With a topological polar surface area (TPSA) of 58.6 Ų, 卡托普利 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 卡托普利 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 卡托普利?
The CAS number of 卡托普利 is 62571-86-2.
What is the molecular formula of 卡托普利?
The molecular formula of 卡托普利 is C9H15NO3S.
What is the molecular weight of 卡托普利?
The molecular weight of 卡托普利 is 217.08 g/mol.
Where can I buy 卡托普利?
You can request a quote for 卡托普利 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 卡托普利?
Yes, KEHONG BIO provides custom synthesis services for 卡托普利 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.